| SpectraBase Compound ID | LNfueKwbVVB |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-17-14-8-6-12(7-9-14)10-15-11-13-4-2-3-5-16(13)18-15/h2-9,15H,10-11H2,1H3 |
| InChIKey | BKKYPLFQPHDMDK-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | wmVrxNxzVF |
|---|---|
| Name | 2-p-Anisylcoumaran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-17-14-8-6-12(7-9-14)10-15-11-13-4-2-3-5-16(13)18-15/h2-9,15H,10-11H2,1H3 |
| InChIKey | BKKYPLFQPHDMDK-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C=12OC(CC2=CC=CC1)CC=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833407 |